9GBM
Human Angiotensin-1 converting enzyme C-domain in complex with a diprolyl inhibitor- SG3
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Angiotensin-converting enzyme | polymer | 597 | 68861.9 | 1 | UniProt (P12821) Pfam (PF01401) | Homo sapiens (human) | ACE,Dipeptidyl carboxypeptidase I,Kininase II |
| 2 | B (B) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 732.7 | 1 | In PDB GlyTouCan (G32152BH) | |||
| 3 | C (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 4 | D (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 5 | E (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 6 | F (A) | BORIC ACID | non-polymer | 61.8 | 1 | Chemie (BO3) | |||
| 7 | G, H (A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 8 | I (A) | (2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-(4-aminophenyl)carbonylpyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid | non-polymer | 432.5 | 1 | Chemie (A1IJW) | |||
| 9 | J (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 10 | K (A) | water | water | 18.0 | 321 | Chemie (HOH) |
Sequence modifications
A: 37 - 633 (UniProt: P12821)
| PDB | External Database | Details |
|---|---|---|
| Gly 64 | Glu 669 | engineered mutation |
| Gln 90 | Asn 695 | engineered mutation |
| Gln 155 | Asn 760 | engineered mutation |
| Gln 337 | Asn 942 | engineered mutation |
| Gln 586 | Asn 1191 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 68861.9 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 732.7 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1020.0 | |
| All* | Total formula weight | 70614.6 |
